OpenFermion is an open source library for compiling and analyzing quantum
algorithms to simulate fermionic systems, including quantum chemistry. Among
other functionalities, this version features data structures and tools
for obtaining and manipulating representations of fermionic and qubit
Hamiltonians. For more information, see our
release paper <https://arxiv.org/abs/1710.07629>__.
.. image:: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg :target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
.. image:: https://readthedocs.org/projects/openfermion/badge/?version=latest :target: http://openfermion.readthedocs.io/en/latest/?badge=latest :alt: Documentation Status
.. image:: https://badge.fury.io/py/openfermion.svg :target: https://badge.fury.io/py/openfermion
.. image:: https://img.shields.io/pypi/dm/openfermion :target: https://img.shields.io/pypi/dm/openfermion
Run the interactive Jupyter Notebooks in Colab_ or MyBinder_:
.. _Colab: https://colab.research.google.com/github/quantumlib/OpenFermion .. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples
Installing the latest stable OpenFermion requires pip. Make sure that you are using an up-to-date version of it.
Documentation can be found at quantumai.google/openfermion <https://quantumai.google/openfermion>__ and the following links
Installation <https://quantumai.google/openfermion/install>__
API Docs <https://quantumai.google/reference/python/openfermion/all_symbols>__
Tutorials <https://quantumai.google/openfermion/tutorials/intro_to_openfermion>__
Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because
the electronic structure plugins are only compatible on these platforms. However,
for those who would like to use Windows, or for anyone having other difficulties
with installing OpenFermion or its plugins, we have provided a Docker image
and usage instructions in the
docker folder <https://github.com/quantumlib/OpenFermion/tree/master/docker>__.
The Docker image provides a virtual environment with OpenFermion and select plugins pre-installed.
The Docker installation should run on any operating system.
You might also want to explore the alpha release of the
OpenFermion Cloud Library <https://github.com/quantumlib/OpenFermion/tree/master/cloud_library>__
where users can share and download precomputed molecular benchmark files.
To install the latest version of OpenFermion (in development mode):
.. code-block:: bash
git clone https://github.com/quantumlib/OpenFermion cd OpenFermion python -m pip install -e .
To install the latest PyPI release as a library (in user mode):
.. code-block:: bash
python -m pip install --user openfermion
OpenFermion relies on modular plugin libraries for significant functionality. Specifically, plugins are used to simulate and compile quantum circuits and to perform classical electronic structure calculations. Follow the links below to learn more!
OpenFermion-FQE <https://github.com/quantumlib/OpenFermion-FQE>__ is
a high performance emulator of fermionic quantum evolutions specified
by a sequence of fermion operators, which can exploit fermionic
symmetries such as spin and particle number.Forest-OpenFermion <https://github.com/rigetticomputing/forestopenfermion>__ to support integration with Forest <https://www.rigetti.com/forest>__.
SFOpenBoson <https://github.com/XanaduAI/SFOpenBoson>__ to support integration with Strawberry Fields <https://github.com/XanaduAI/strawberryfields>__.
OpenFermion-Psi4 <http://github.com/quantumlib/OpenFermion-Psi4>__ to support integration with Psi4 <http://psicode.org>__.
OpenFermion-PySCF <http://github.com/quantumlib/OpenFermion-PySCF>__ to support integration with PySCF <https://github.com/sunqm/pyscf>__.
OpenFermion-Dirac <https://github.com/bsenjean/Openfermion-Dirac>__ to support integration with DIRAC <http://diracprogram.org/doku.php>__.
OpenFermion-QChem <https://github.com/qchemsoftware/OpenFermion-QChem>__ to support integration with Q-Chem <https://www.q-chem.com>__.
We'd love to accept your contributions and patches to OpenFermion. There are a few small guidelines you need to follow. Contributions to OpenFermion must be accompanied by a Contributor License Agreement. You (or your employer) retain the copyright to your contribution, this simply gives us permission to use and redistribute your contributions as part of the project. Head over to https://cla.developers.google.com/ to see your current agreements on file or to sign a new one.
All submissions, including submissions by project members, require review.
We use GitHub pull requests for this purpose. Consult
GitHub Help <https://help.github.com/articles/about-pull-requests/>__ for
more information on using pull requests.
Furthermore, please make sure your new code comes with extensive tests!
We use automatic testing to make sure all pull requests pass tests and do not
decrease overall test coverage by too much. Make sure you adhere to our style
guide. Just have a look at our code for clues. We mostly follow
PEP 8 <https://www.python.org/dev/peps/pep-0008/>_ and use
the corresponding linter <https://pypi.python.org/pypi/pep8>_ to check for it.
Code should always come with documentation, which is generated automatically and can be found
here <http://openfermion.readthedocs.io/en/latest/openfermion.html>_.
We use Github issues <https://github.com/quantumlib/OpenFermion/issues>__
for tracking requests and bugs. Please post questions to the
Quantum Computing Stack Exchange <https://quantumcomputing.stackexchange.com/>__ with an 'openfermion' tag.
Ryan Babbush <http://ryanbabbush.com>__ (Google),
Jarrod McClean <http://jarrodmcclean.com>__ (Google),
Nicholas Rubin <https://github.com/ncrubin>__ (Google),
Kevin Sung <https://github.com/kevinsung>__ (University of Michigan),
Ian Kivlichan <http://aspuru.chem.harvard.edu/ian-kivlichan/>__ (Harvard),
Dave Bacon <https://github.com/dabacon>__ (Google),
Xavier Bonet-Monroig <https://github.com/xabomon>__ (Leiden University),
Yudong Cao <https://github.com/yudongcao>__ (Harvard),
Chengyu Dai <https://github.com/jdaaph>__ (University of Michigan),
E. Schuyler Fried <https://github.com/schuylerfried>__ (Harvard),
Craig Gidney <https://github.com/Strilanc>__ (Google),
Brendan Gimby <https://github.com/bgimby>__ (University of Michigan),
Pranav Gokhale <https://github.com/singular-value>__ (University of Chicago),
Thomas Häner <https://github.com/thomashaener>__ (ETH Zurich),
Tarini Hardikar <https://github.com/TariniHardikar>__ (Dartmouth),
Vojtĕch Havlíček <https://github.com/VojtaHavlicek>__ (Oxford),
Oscar Higgott <https://github.com/oscarhiggott>__ (University College London),
Cupjin Huang <https://github.com/pertoX4726>__ (University of Michigan),
Josh Izaac <https://github.com/josh146>__ (Xanadu),
Zhang Jiang <https://ti.arc.nasa.gov/profile/zjiang3>__ (NASA),
William Kirby <https://williammkirby.com>__ (Tufts University),
Xinle Liu <https://github.com/sheilaliuxl>__ (Google),
Sam McArdle <https://github.com/sammcardle30>__ (Oxford),
Matthew Neeley <https://github.com/maffoo>__ (Google),
Thomas O'Brien <https://github.com/obriente>__ (Leiden University),
Bryan O'Gorman <https://ti.arc.nasa.gov/profile/bogorman>__ (UC Berkeley, NASA),
Isil Ozfidan <https://github.com/conta877>__ (D-Wave Systems),
Max Radin <https://github.com/max-radin>__ (UC Santa Barbara),
Jhonathan Romero <https://github.com/jromerofontalvo>__ (Harvard),
Daniel Sank <https://github.com/DanielSank>__ (Google),
Nicolas Sawaya <https://github.com/nicolassawaya>__ (Harvard),
Bruno Senjean <https://github.com/bsenjean>__ (Leiden University),
Kanav Setia <https://github.com/kanavsetia>__ (Dartmouth),
Hannah Sim <https://github.com/hsim13372>__ (Harvard),
Damian Steiger <https://github.com/damiansteiger>__ (ETH Zurich),
Mark Steudtner <https://github.com/msteudtner>__ (Leiden University),
Qiming Sun <https://github.com/sunqm>__ (Caltech),
Wei Sun <https://github.com/Spaceenter>__ (Google),
Daochen Wang <https://github.com/daochenw>__ (River Lane Research),
Chris Winkler <https://github.com/quid256>__ (University of Chicago),
Fang Zhang <https://github.com/fangzh-umich>__ (University of Michigan) and
Emiel Koridon <https://github.com/Emieeel>__ (Leiden University).
When using OpenFermion for research projects, please cite:
Jarrod R McClean, Nicholas C Rubin, Kevin J Sung, Ian D Kivlichan, Xavier Bonet-Monroig,
Yudong Cao, Chengyu Dai, E Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale,
Thomas Häner, Tarini Hardikar, Vojtěch Havlíček, Oscar Higgott, Cupjin Huang, Josh Izaac,
Zhang Jiang, Xinle Liu, Sam McArdle, Matthew Neeley, Thomas O'Brien, Bryan O'Gorman,
Isil Ozfidan, Maxwell D Radin, Jhonathan Romero, Nicolas P D Sawaya, Bruno Senjean,
Kanav Setia, Sukin Sim, Damian S Steiger, Mark Steudtner, Qiming Sun, Wei Sun, Daochen Wang,
Fang Zhang, and Ryan Babbush
*OpenFermion: The Electronic Structure Package for Quantum Computers*.
`Quantum Science and Technology 5.3 (2020): 034014 <https://iopscience.iop.org/article/10.1088/2058-9565/ab8ebc/meta>`__.
We are happy to include future contributors as authors on later releases.
Copyright 2017 The OpenFermion Developers. This is not an official Google product.
FAQs
The electronic structure package for quantum computers.
We found that openfermion demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 8 open source maintainers collaborating on the project.
Did you know?
Socket for GitHub automatically highlights issues in each pull request and monitors the health of all your open source dependencies. Discover the contents of your packages and block harmful activity before you install or update your dependencies.
Security News
PyPI confirms no security flaws were exploited in the Ultralytics supply chain attack and highlights improvements for safer package publishing.
Security News
Research
The Socket Research Team breaks down a malicious wrapper package that uses obfuscation to harvest credentials and exfiltrate sensitive data.
Research
Security News
Attackers used a malicious npm package typosquatting a popular ESLint plugin to steal sensitive data, execute commands, and exploit developer systems.